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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Amyloid beta-binding alcohol dehydrogenase (ABAD)' and Ligand = 'BDBM232924'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amyloid beta-binding alcohol dehydrogenase (ABAD)


(Homo sapiens (Human))
BDBM232924
PNG
(US9346839, 5 | US9738668, Compound 5)
Show SMILES COC(=O)c1cc(ccc1O)[C@H](Nc1nc2cc(F)ccc2s1)P(=O)(OC)OC
Show InChI InChI=1S/C18H18FN2O6PS/c1-25-17(23)12-8-10(4-6-14(12)22)16(28(24,26-2)27-3)21-18-20-13-9-11(19)5-7-15(13)29-18/h4-9,16,22H,1-3H3,(H,20,21)/t16-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
9.11E+4n/an/an/an/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay for the inhibition of reduction of S-acetoacetyl-CoA (SAAC) by ABAD was carried out with ABAD (418 ng/ml), SAAC (172 μM), NADH (102 &#...


US Patent US9738668 (2017)

More data for this
Ligand-Target Pair
Amyloid beta-binding alcohol dehydrogenase (ABAD)


(Homo sapiens (Human))
BDBM232924
PNG
(US9346839, 5 | US9738668, Compound 5)
Show SMILES COC(=O)c1cc(ccc1O)[C@H](Nc1nc2cc(F)ccc2s1)P(=O)(OC)OC
Show InChI InChI=1S/C18H18FN2O6PS/c1-25-17(23)12-8-10(4-6-14(12)22)16(28(24,26-2)27-3)21-18-20-13-9-11(19)5-7-15(13)29-18/h4-9,16,22H,1-3H3,(H,20,21)/t16-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.35E+5n/an/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay for the inhibition of reduction of S-acetoacetyl-CoA (SAAC) by ABAD was carried out with ABAD (418 ng/ml), SAAC (172 μM), NADH (102 &#...


US Patent US9738668 (2017)

More data for this
Ligand-Target Pair
Amyloid beta-binding alcohol dehydrogenase (ABAD)


(Homo sapiens (Human))
BDBM232924
PNG
(US9346839, 5 | US9738668, Compound 5)
Show SMILES COC(=O)c1cc(ccc1O)[C@H](Nc1nc2cc(F)ccc2s1)P(=O)(OC)OC
Show InChI InChI=1S/C18H18FN2O6PS/c1-25-17(23)12-8-10(4-6-14(12)22)16(28(24,26-2)27-3)21-18-20-13-9-11(19)5-7-15(13)29-18/h4-9,16,22H,1-3H3,(H,20,21)/t16-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 954n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay for the inhibition of reduction of S-acetoacetyl-CoA (SAAC) by ABAD was carried out with ABAD (418 ng/ml), SAAC (172 μM), NADH (102 &#...


US Patent US9738668 (2017)

More data for this
Ligand-Target Pair